Geometry & MOs

Info

ID:	332531
PubChem CID:	127250817
Reduced:	O2F3N5C21H24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-141.15
Dipole, Da:	3.22
IP(EA), eV:	-8.89(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations